SCHEMBL21084615

SCHEMBL21084615

C=C(C)C(=O)OC(C)O.C=CC(=O)OC(O)CCC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9840052 0.92 TSHR (0.36) TSHRHPGDALDH1A1
SCHEMBL5090391 0.88 TSHR (0.36) TSHRHPGDALDH1A1
SCHEMBL28542398 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL2283957 0.88 TSHR (0.40) TSHRHPGDALDH1A1
SCHEMBL21313306 0.87 TSHR (0.35) TSHRHPGD
SCHEMBL11242612 0.86 TSHR (0.40) TSHRHPGDALDH1A1
SCHEMBL6746515 0.84 TSHR (0.38) TSHRALDH1A1
Methacrylic Acid SCHEMBL27350263 0.84 TSHR (0.33) TSHR
SCHEMBL26503 0.84 TSHR (0.44) TSHRHPGDALDH1A1
SCHEMBL27143080 0.82 TSHR (0.42) TSHRHPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844161-B2 Silane-functional polymeric polyurethanes COVESTRO DEUTSCHLAND AG (DE) 2020-11-24 US disclosed
US-20190202973-A1 SILANE-FUNCTIONAL POLYMERIC POLYURETHANES COVESTRO DEUTSCHLAND AG (DE) 2019-07-04 US disclosed